[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)benzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)benzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 4-(4-chloro-2-nitro-phenoxy)benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)benzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4-(4-chloro-2-nitrophenoxy)benzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)benzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C23H16ClN3O6 MolecularWeight: 465.84264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H16ClN3O6/c24-17-8-11-21(20(14-17)27(30)31)33-19-9-6-16(7-10-19)23(29)32-15-22(28)26(13-12-25)18-4-2-1-3-5-18/h1-11,14H,13,15H2